BDBM50245409 4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide::CHEMBL517745

SMILES: COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1

InChI Key: InChIKey=PILVVZXXLLAZDK-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50245409   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50245409 (4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...) Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin)				Bioorg Med Chem Lett 18: 4896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.057 BindingDB Entry DOI: 10.7270/Q2NS0TPB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50245409 (4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...) Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 18: 4896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.057 BindingDB Entry DOI: 10.7270/Q2NS0TPB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50245409 (4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...) Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 4896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.057 BindingDB Entry DOI: 10.7270/Q2NS0TPB
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50245409 (4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...) Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Bioorg Med Chem Lett 18: 4896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.057 BindingDB Entry DOI: 10.7270/Q2NS0TPB
					More data for this Ligand-Target Pair